REMARK  Name = BDB004134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.670   1.677  -3.486  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -2.948   1.276  -2.124  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.254   1.846  -0.989  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1       -3.166   1.499   0.189  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1       -3.825   0.177  -0.230  0.00  0.00    +0.170 C 
ATOM      6  C   LIG    1       -3.875   0.307  -1.760  0.00  0.00    +0.237 C 
ATOM      7  O   LIG    1       -4.575  -0.338  -2.524  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -5.081  -0.089   0.502  0.00  0.00    -0.250 N 
ATOM      9  C   LIG    1       -4.916  -0.698   1.738  0.00  0.00    +0.313 C 
ATOM     10  O   LIG    1       -3.828  -1.115   2.142  0.00  0.00    -0.252 OA
ATOM     11  N   LIG    1       -5.969  -0.760   2.595  0.00  0.00    -0.239 N 
ATOM     12  H   LIG    1       -5.575  -1.175   3.432  0.00  0.00    +0.159 HD
ATOM     13  C   LIG    1       -7.029  -1.543   2.261  0.00  0.00    +0.224 C 
ATOM     14  O   LIG    1       -7.254  -2.583   2.881  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -7.983  -1.021   1.210  0.00  0.00    +0.124 C 
ATOM     16  C   LIG    1       -7.509   0.057   0.294  0.00  0.00    -0.002 C 
ATOM     17  C   LIG    1       -6.260   0.417  -0.014  0.00  0.00    +0.076 C 
ENDBRANCH   5   8
BRANCH   3  18
ATOM     18  C   LIG    1       -0.838   1.338  -0.792  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1       -0.404   0.084  -1.244  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        0.908  -0.348  -1.017  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        1.815   0.456  -0.321  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        1.392   1.713   0.122  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        0.081   2.146  -0.103  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.209   0.053  -0.087  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        3.583  -1.203   0.199  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.979  -1.625   0.447  0.00  0.00    +0.332 C 
ATOM     27  O   LIG    1        5.261  -2.788   0.693  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.835  -0.582   0.360  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.258  -0.772   0.568  0.00  0.00    +0.106 C 
ATOM     30  C   LIG    1        7.868   0.627   0.388  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.553  -1.255   1.992  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.854  -1.707  -0.489  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 6